6-chloranyl-4-(2-hydroxyethylsulfanylmethyl)-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-(2-hydroxyethylsulfanylmethyl)-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-(2-hydroxyethylsulfanylmethyl)-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[(2-hydroxyethylthio)methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-(2-hydroxyethylsulfanylmethyl)-7-methylchromen-2-one Traditional Name: 6-chloro-4-[(2-hydroxyethylthio)methyl]-7-methyl-coumarin Formula: C13H13ClO3S MolecularWeight: 284.75852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSCCO)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSCCO)Cl

InChI

InChI=1S/C13H13ClO3S/c1-8-4-12-10(6-11(8)14)9(5-13(16)17-12)7-18-3-2-15/h4-6,15H,2-3,7H2,1H3